ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate

C17H24N2O3 — CID 119336032

IUPACethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate
SMILESCCOC(=O)C(CNC(=O)C1CCCCN1)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-2-22-17(21)14(13-8-4-3-5-9-13)12-19-16(20)15-10-6-7-11-18-15/h3-5,8-9,14-15,18H,2,6-7,10-12H2,1H3,(H,19,20)
InChIKeySNLWJLLSWGVHPG-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.59
Rot. Bonds6

About ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate

ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate (PubChem CID 119336032) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate
PubChem CID119336032
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate
SMILESCCOC(=O)C(CNC(=O)C1CCCCN1)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-2-22-17(21)14(13-8-4-3-5-9-13)12-19-16(20)15-10-6-7-11-18-15/h3-5,8-9,14-15,18H,2,6-7,10-12H2,1H3,(H,19,20)
InChIKeySNLWJLLSWGVHPG-UHFFFAOYSA-N
XLogP1.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913877
2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901121
N-(2-methoxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119278882
(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide
CID 103807955
(2R)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119676963
N-(2,3-diphenylpropyl)piperidine-2-carboxamide
CID 119335224
(2S)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913043
(2R)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913042
ethyl (2S)-3-[[(1S,5R)-8-oxobicyclo[3.2.1]octane-3-carbonyl]amino]-2-phenylpropanoate
CID 99815804
(2R)-N-(2-hydroxypentyl)piperidine-2-carboxamide
CID 103811163
N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119335458
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide
CID 119295522

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate?
The IUPAC name of ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate (CID 119336032) is ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate.
What is the SMILES notation for ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate?
The canonical SMILES for ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate is CCOC(=O)C(CNC(=O)C1CCCCN1)c1ccccc1.
What is the InChIKey of ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate?
The InChIKey is SNLWJLLSWGVHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-22-17(21)14(13-8-4-3-5-9-13)12-19-16(20)15-10-6-7-11-18-15/h3-5,8-9,14-15,18H,2,6-7,10-12H2,1H3,(H,19,20).
What are the key properties of ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate?
ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate has a molecular weight of 304.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-3-(piperidine-2-carbonylamino)propanoate is sourced from PubChem (CID 119336032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).